N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

C17H17ClN2O3S2 — CID 156602180

IUPACN-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
SMILESO=C(c1ccc(Cl)s1)N1CC2CC1CC2NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17ClN2O3S2/c18-16-7-6-15(24-16)17(21)20-10-11-8-12(20)9-14(11)19-25(22,23)13-4-2-1-3-5-13/h1-7,11-12,14,19H,8-10H2
InChIKeyZEZLCACBZGCKPV-UHFFFAOYSA-N
MW396.92 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide (PubChem CID 156602180) has the molecular formula C17H17ClN2O3S2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
PubChem CID156602180
Molecular FormulaC17H17ClN2O3S2
Molecular Weight396.92 g/mol
Exact Mass396.04
IUPAC NameN-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
SMILESO=C(c1ccc(Cl)s1)N1CC2CC1CC2NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17ClN2O3S2/c18-16-7-6-15(24-16)17(21)20-10-11-8-12(20)9-14(11)19-25(22,23)13-4-2-1-3-5-13/h1-7,11-12,14,19H,8-10H2
InChIKeyZEZLCACBZGCKPV-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-{2-[1-(4-fluorobenzoyl)-4-piperidyl]ethyl}-2-thiophenesulfonamide
CID 53103756
N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 156602194
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 156602237
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
CID 156602259
CID 156602272
CID 156602272
N-[2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 156602312
4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2738505
5-chloro-N-(2-(1-(thiophen-2-ylsulfonyl)piperidin-2-yl)ethyl)thiophene-2-carboxamide
CID 49747419
5-chloro-N-{2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl}thiophene-2-sulfonamide
CID 53103808
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 53103857
N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 156601663
N-[2-(3-chloro-4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
CID 156601949

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide (CID 156602180) is N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide is O=C(c1ccc(Cl)s1)N1CC2CC1CC2NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The InChIKey is ZEZLCACBZGCKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S2/c18-16-7-6-15(24-16)17(21)20-10-11-8-12(20)9-14(11)19-25(22,23)13-4-2-1-3-5-13/h1-7,11-12,14,19H,8-10H2.
What are the key properties of N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide has a molecular weight of 396.92 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide is sourced from PubChem (CID 156602180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).